CID 22725241

3-(1-benzofuran-2-carbonyl)pyridine

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H9NO2/c16-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9H
InChIKey
DOLCUKYSDPPKSM-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.8
[M+Na]+ 246.05254 162.0
[M+NH4]+ 241.09714 155.1
[M+K]+ 262.02648 156.3
[M-H]- 222.05604 151.5
[M+Na-2H]- 244.03799 155.4
[M]+ 223.06277 149.9
[M]- 223.06387 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.